Compound Detail
CHEMBL5778806
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CC1(C)c2cc(Cl)ccc2C(=O)N1c1cncc(N2CC3(CN(C(=O)c4cnccc4C#N)C3)C2)c1
Basic Information
| ChEMBL ID | CHEMBL5778806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDOUTOFCZDWIBI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
499.0
MW (Da)
3.86
ALogP
6
HBA
0
HBD
93.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | EC50 | 10.6 | 10.6 | 0.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | EC50 | 7.78 | 7.78 | 16.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | EC50 | = | 0.025 | nM | 10.6 | G-402 cell line assay: Herein we identified the use of the G-402 cell line as a ... | - |
| Cytochrome P450 11B1, mitochondrial | EC50 | = | 16.8 | nM | 7.78 | G-402 cell line assay: Herein we identified the use of the G-402 cell line as a ... | - |
Data from ChEMBL 36 via Core Engine